⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6205681 | 0.70 | — | — | |
| SCHEMBL17081252 | 0.70 | — | — | |
| SCHEMBL8080733 | 0.67 | — | — | |
| SCHEMBL5496086 | 0.67 | NLRP3 (0.35) | — | |
| SCHEMBL24799358 | 0.66 | — | — | |
| SCHEMBL8368166 | 0.66 | — | — | |
| SCHEMBL10829821 | 0.66 | — | — | |
| SCHEMBL9608850 | 0.62 | — | — | |
| SCHEMBL12282217 | 0.62 | — | — | |
| SCHEMBL14416743 | 0.61 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9136483-B1 | Thiophene fused azacoronenes: regioselective synthesis, self organization, charge transport, and its incorporation in conjugated polymers | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-09-15 | — | — | US | disclosed |
| WO-2011103686-A1 | CEPHALOSPORIN DERIVATIVES USEFUL AS β-LACTAMASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF | VISWANATHA , SUNDARAMMA (CA) | 2011-09-01 | — | — | WO | disclosed |
| US-7348347-B2 | Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds | GRUENENTHAL GMBH (DE) | 2008-03-25 | — | — | US | disclosed |
| US-20070027315-A1 | Substituted 4,5,6,7-tetrahydrobenzthiazol-2-ylamine compounds | GRUENENTHAL GMBH (DE) | 2007-02-01 | — | — | US | disclosed |